Basic information
- CAS
436089-20-2- Standard SMILES
Cc1ccc(N)cc1NS(=O)(=O)c1ccccc1- InChIKey
UWSQTCSGEXESKN-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- N-(5-amino-2-methylphenyl)benzenesulfonamide
- IUPAC
- N-(5-amino-2-methylphenyl)benzenesulfonamide
- English name
- N-(5-amino-2-methylphenyl)benzenesulfonamide
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
N-(5-amino-2-methylphenyl)benzenesulfonamide436089-20-2Oprea1_734843CHEMBL5496189SCHEMBL18757864DTXSID001259014LSA08920AKOS000128598CS-0248544EN300-40177G20002Z239123018
Show more names
Benzenesulfonamide, N-(5-amino-2-methylphenyl)-
Database identifiers
- CAS
436089-20-2- PubChem CID
- 856137
- DTXSID
DTXSID001259014- ChEMBL
CHEMBL5496189- EC Number
- 154-929-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 446.3 · 446.3±55.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers5 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
UKRORGSYN-BB[email protected]
PRINCETON[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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